2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile

C15H8F6N2 — CID 134628875

IUPAC2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F6N2/c16-14(17,18)9-7-11(13(5-6-22)23-8-9)10-3-1-2-4-12(10)15(19,20)21/h1-4,7-8H,5H2
InChIKeyYZUSVGSEOFALGM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.85
Rot. Bonds2

About 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile

2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile (PubChem CID 134628875) has the molecular formula C15H8F6N2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
PubChem CID134628875
Molecular FormulaC15H8F6N2
Molecular Weight330.23 g/mol
Exact Mass330.06
IUPAC Name2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F6N2/c16-14(17,18)9-7-11(13(5-6-22)23-8-9)10-3-1-2-4-12(10)15(19,20)21/h1-4,7-8H,5H2
InChIKeyYZUSVGSEOFALGM-UHFFFAOYSA-N
XLogP4.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 131870344
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 134620536
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118812916
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile (CID 134628875) is 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile is N#CCc1ncc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
The InChIKey is YZUSVGSEOFALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2/c16-14(17,18)9-7-11(13(5-6-22)23-8-9)10-3-1-2-4-12(10)15(19,20)21/h1-4,7-8H,5H2.
What are the key properties of 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile has a molecular weight of 330.23 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134628875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).